Geometry & MOs

Info

ID:	392300
PubChem CID:	135014299
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	562.283158
ΔH_f, kcal/mol:	-157.92
Dipole, Da:	7.44
IP(EA), eV:	-9.27(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,22-diaminopentacyclo[22.2.2.24,7.211,14.217,20]tetratriaconta-1(27),4,6,11,13,17(30),18,20(29),24(28),25,31,33-dodecaene-9,22-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(CC2)C(=O)OC

DOS

IR

Vibrations